16206204
  -OEChem-04232412392D

 34 13  0     0  0  0  0  0  0999 V2000
    0.0000    6.3100    0.0000 Zr  0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    5.4050    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    3.0369    5.4050    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    3.9030    3.9050    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    3.9030    4.9050    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    3.9030    8.7150    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    8.7089    1.3100    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    8.7089    5.1200    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    3.9030    7.7150    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.5749    5.6200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7690    9.2150    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0369    9.2150    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.5749    1.8100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.8429    1.8100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.8429    5.6200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.7089    4.1200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.2089   10.1200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.2089   12.6200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1118    6.3100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.2089    7.6200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.7089    0.3100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3660    7.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1118    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3059    8.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    8.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1118    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3059    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3059    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1720    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2089   10.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2089   12.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1118    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2089    7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1720    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  CHG  8   2  -1   3  -1   4  -1   5   3   6   3   7   3   8   3   9  -1
M  CHG  8  10  -1  11  -1  12  -1  13  -1  14  -1  15  -1  16  -1  17  -1
M  CHG  4  18  -1  19  -1  20  -1  21  -1
M  END
> <PUBCHEM_COMPOUND_CID>
16206204

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
0

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
16

> <PUBCHEM_CACTVS_HBOND_DONOR>
13

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccAAPAAGABAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tetraaluminum;zirconium;trichloride;tridecahydroxide

> <PUBCHEM_IUPAC_CAS_NAME>
tetraaluminum;zirconium;trichloride;tridecahydroxide

> <PUBCHEM_IUPAC_NAME_MARKUP>
tetraaluminum;zirconium;trichloride;tridecahydroxide

> <PUBCHEM_IUPAC_NAME>
tetraaluminum;zirconium;trichloride;tridecahydroxide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tetraaluminum;zirconium;trichloride;tridecahydroxide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tetraaluminum;zirconium;trichloride;tridecahydroxide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/4Al.3ClH.13H2O.Zr/h;;;;3*1H;13*1H2;/q4*+3;;;;;;;;;;;;;;;;;/p-16

> <PUBCHEM_IUPAC_INCHIKEY>
YLFAXFHJUYWSLU-UHFFFAOYSA-A

> <PUBCHEM_EXACT_MASS>
523.773026

> <PUBCHEM_MOLECULAR_FORMULA>
Al4Cl3H13O13Zr-4

> <PUBCHEM_MOLECULAR_WEIGHT>
526.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Zr]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Zr]

> <PUBCHEM_CACTVS_TPSA>
13

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
523.773026

> <PUBCHEM_TOTAL_CHARGE>
-4

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
21

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$